4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide

C17H17ClF3NO4S — CID 30329404

IUPAC4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C17H17ClF3NO4S/c1-22(10-11-4-7-15(25-2)16(8-11)26-3)27(23,24)12-5-6-14(18)13(9-12)17(19,20)21/h4-9H,10H2,1-3H3
InChIKeyLFVRTNNYWKCZHU-UHFFFAOYSA-N
MW423.84 g/mol
LogP4.20
Rot. Bonds6

About 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 30329404) has the molecular formula C17H17ClF3NO4S and a molecular weight of 423.84 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID30329404
Molecular FormulaC17H17ClF3NO4S
Molecular Weight423.84 g/mol
Exact Mass423.05
IUPAC Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C17H17ClF3NO4S/c1-22(10-11-4-7-15(25-2)16(8-11)26-3)27(23,24)12-5-6-14(18)13(9-12)17(19,20)21/h4-9H,10H2,1-3H3
InChIKeyLFVRTNNYWKCZHU-UHFFFAOYSA-N
XLogP4.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534310
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-phenoxybenzenesulfonamide
CID 38019730
1-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 55246405
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 39794843
3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 39794842
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 47959380
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 99956217
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45375202
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 30329404) is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide is COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LFVRTNNYWKCZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3NO4S/c1-22(10-11-4-7-15(25-2)16(8-11)26-3)27(23,24)12-5-6-14(18)13(9-12)17(19,20)21/h4-9H,10H2,1-3H3.
What are the key properties of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 423.84 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 30329404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).